(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane

C113H210O27 — CID 163701937

IUPAC(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane
SMILESCCC1O[C@@H](OC)C(C)[C@@H](O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2C)C1C.CCC1O[C@H](OC2[C@@H](OC)OC(CC)[C@@H](C)[C@@H]2C)C(O[C@@H]2OC(CC)[C@@H](C)[C@H](O)C2C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2[C@@H](O[C@@H]3C(C)[C@H](OC)OC(CC)[C@H]3C)OC(CC)[C@@H](C)[C@@H]2C)C(O)[C@@H](C)[C@@H]1C.CCC1O[C@H](O[C@@H]2C(C)[C@H](OC3[C@@H](OC)OC(CC)[C@@H](C)[C@@H]3C)OC(CC)[C@H]2C)C(O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C29H54O6.3C28H52O7/c1-12-22-16(5)15(4)19(8)28(32-22)35-26-18(7)17(6)23(13-2)33-29(26)34-25-20(9)24(14-3)31-27(30-11)21(25)10;1-11-20-14(4)16(6)24(27(30-10)32-20)35-28-25(17(7)15(5)21(12-2)33-28)34-26-19(9)23(29)18(8)22(13-3)31-26;1-11-20-14(4)16(6)23(29)27(32-20)34-24-18(8)22(13-3)31-26(19(24)9)35-25-17(7)15(5)21(12-2)33-28(25)30-10;1-11-20-14(4)16(6)23(29)27(32-20)35-25-17(7)15(5)21(12-2)33-28(25)34-24-18(8)22(13-3)31-26(30-10)19(24)9/h15-29H,12-14H2,1-11H3;3*14-29H,11-13H2,1-10H3/t15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25-,26?,27+,28+,29+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23-,24?,25?,26-,27-,28+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26-,27+,28-;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26+,27+,28+/m0000/s1
InChIKeyKBTUYTSNFQAIPJ-ZLQGTNGWSA-N
MW2000.90 g/mol
LogP21.22
Rot. Bonds32

About (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane

(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane (PubChem CID 163701937) has the molecular formula C113H210O27 and a molecular weight of 2000.90 g/mol. Its IUPAC name is (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane.

Molecular Properties

Compound Name(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane
PubChem CID163701937
Molecular FormulaC113H210O27
Molecular Weight2000.90 g/mol
Exact Mass1999.51
IUPAC Name(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane
SMILESCCC1O[C@@H](OC)C(C)[C@@H](O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2C)C1C.CCC1O[C@H](OC2[C@@H](OC)OC(CC)[C@@H](C)[C@@H]2C)C(O[C@@H]2OC(CC)[C@@H](C)[C@H](O)C2C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2[C@@H](O[C@@H]3C(C)[C@H](OC)OC(CC)[C@H]3C)OC(CC)[C@@H](C)[C@@H]2C)C(O)[C@@H](C)[C@@H]1C.CCC1O[C@H](O[C@@H]2C(C)[C@H](OC3[C@@H](OC)OC(CC)[C@@H](C)[C@@H]3C)OC(CC)[C@H]2C)C(O)[C@@H](C)[C@@H]1C
InChIInChI=1S/C29H54O6.3C28H52O7/c1-12-22-16(5)15(4)19(8)28(32-22)35-26-18(7)17(6)23(13-2)33-29(26)34-25-20(9)24(14-3)31-27(30-11)21(25)10;1-11-20-14(4)16(6)24(27(30-10)32-20)35-28-25(17(7)15(5)21(12-2)33-28)34-26-19(9)23(29)18(8)22(13-3)31-26;1-11-20-14(4)16(6)23(29)27(32-20)34-24-18(8)22(13-3)31-26(19(24)9)35-25-17(7)15(5)21(12-2)33-28(25)30-10;1-11-20-14(4)16(6)23(29)27(32-20)35-25-17(7)15(5)21(12-2)33-28(25)34-24-18(8)22(13-3)31-26(30-10)19(24)9/h15-29H,12-14H2,1-11H3;3*14-29H,11-13H2,1-10H3/t15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25-,26?,27+,28+,29+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23-,24?,25?,26-,27-,28+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26-,27+,28-;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26+,27+,28+/m0000/s1
InChIKeyKBTUYTSNFQAIPJ-ZLQGTNGWSA-N
XLogP21.22
TPSA282.21 Ų
H-Bond Donors3
H-Bond Acceptors27
Rotatable Bonds32
Heavy Atoms140
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.90
LogP ≤ 521.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1027

Analyze (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6R)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol
CID 163470455
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-[(3R,4S,6S)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 163909769
(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(4S,5S)-6-ethyl-2,4,5-trimethyloxan-3-yl]oxy-3,5-dimethyloxane
CID 158555305
(2R,4R,5R)-5-ethyl-2-methoxy-4-methyloxolan-3-ol
CID 118680820
(2S,4R,5R)-6-ethyl-2-[(3S,6R)-2-ethyl-6-[(3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[(3R,4R,6S)-6-[(3S,6R)-2-ethyl-6-[(2S,3S,6R)-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4-hydroxy-5-methyloxan-3-yl]oxy-2,4,5-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-hydroxy-4-methyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-5-[(2S,4S,5R)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4-methyloxan-3-ol
CID 59044690
(3S,4R,6S)-2-ethyl-4-[(2S,4S,5R)-6-ethyl-4,5-dimethyl-3-[(2S,4S,5S)-3,4,5,6-tetramethyloxan-2-yl]oxyoxan-2-yl]oxy-3,5,6-trimethyloxane;(3S,4R,6S)-2-ethyl-3-[(2S,4R,5R)-6-ethyl-5-[(2R,4S,5S)-6-ethyl-4-methoxy-3,5-dimethyloxan-2-yl]oxy-3,4-dimethyloxan-2-yl]oxy-4,5-dimethyl-6-propan-2-yloxane
CID 158856498
(3R,4S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-6-[[(3S)-2-ethyl-4-methyl-3,4-dihydro-2H-pyran-3-yl]oxy]-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol
CID 90815424
2-[6-[6-[4,5-dihydroxy-2-(hydroxymethyl)-6-methoxyoxan-3-yl]oxy-2-ethyl-4,5-dihydroxyoxan-3-yl]oxy-4,5-dihydroxy-2-(hydroxymethyl)oxan-3-yl]oxy-6-ethyl-5-methyloxane-3,4-diol;ethane
CID 158317864
2-ethyl-3-[6-ethyl-5-(6-ethyl-3,4,5-trimethyloxan-2-yl)oxy-3,4-dimethyloxan-2-yl]oxy-4,5,6-trimethyloxane
CID 22974905
(2S,3S,6S)-2-ethyl-3-[(2R,5S,6S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-6-[(3S,4R,6R)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxane
CID 90909875
3-(6-ethyl-5-hydroxy-3,4-dimethyloxan-2-yl)oxy-4,6-dimethylcyclohexane-1,2-diol
CID 59612294
(2R,3S,6R)-2-ethyl-6-[(2R,3S,6R)-2-ethyl-6-[(3R,4R,6S)-2-ethyl-4,5,6-trimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol
CID 59044769

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane?
The IUPAC name of (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane (CID 163701937) is (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane.
What is the SMILES notation for (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane?
The canonical SMILES for (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane is CCC1O[C@@H](OC)C(C)[C@@H](O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2O[C@H]2OC(CC)[C@@H](C)[C@H](C)C2C)C1C.CCC1O[C@H](OC2[C@@H](OC)OC(CC)[C@@H](C)[C@@H]2C)C(O[C@@H]2OC(CC)[C@@H](C)[C@H](O)C2C)[C@@H](C)[C@@H]1C.CCC1O[C@H](OC2[C@@H](O[C@@H]3C(C)[C@H](OC)OC(CC)[C@H]3C)OC(CC)[C@@H](C)[C@@H]2C)C(O)[C@@H](C)[C@@H]1C.CCC1O[C@H](O[C@@H]2C(C)[C@H](OC3[C@@H](OC)OC(CC)[C@@H](C)[C@@H]3C)OC(CC)[C@H]2C)C(O)[C@@H](C)[C@@H]1C.
What is the InChIKey of (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane?
The InChIKey is KBTUYTSNFQAIPJ-ZLQGTNGWSA-N. The full InChI is InChI=1S/C29H54O6.3C28H52O7/c1-12-22-16(5)15(4)19(8)28(32-22)35-26-18(7)17(6)23(13-2)33-29(26)34-25-20(9)24(14-3)31-27(30-11)21(25)10;1-11-20-14(4)16(6)24(27(30-10)32-20)35-28-25(17(7)15(5)21(12-2)33-28)34-26-19(9)23(29)18(8)22(13-3)31-26;1-11-20-14(4)16(6)23(29)27(32-20)34-24-18(8)22(13-3)31-26(19(24)9)35-25-17(7)15(5)21(12-2)33-28(25)30-10;1-11-20-14(4)16(6)23(29)27(32-20)35-25-17(7)15(5)21(12-2)33-28(25)34-24-18(8)22(13-3)31-26(30-10)19(24)9/h15-29H,12-14H2,1-11H3;3*14-29H,11-13H2,1-10H3/t15-,16-,17-,18-,19?,20?,21?,22?,23?,24?,25-,26?,27+,28+,29+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23-,24?,25?,26-,27-,28+;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26-,27+,28-;14-,15-,16-,17-,18+,19?,20?,21?,22?,23?,24-,25?,26+,27+,28+/m0000/s1.
What are the key properties of (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane?
(2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane has a molecular weight of 2000.90 g/mol, XLogP of 21.22, 32 rotatable bonds, 3 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-6-ethyl-2-[(2R,4S,5S)-6-ethyl-2-[(3R,4S,6R)-2-ethyl-6-methoxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-ol;(2R,4S,5S)-6-ethyl-2-[(3R,4S,6S)-2-ethyl-6-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-yl]oxy-4,5-dimethyloxan-3-ol;(3S,4S,6S)-2-ethyl-6-[(2R,4S,5S)-6-ethyl-2-[(2S,4S,5S)-6-ethyl-2-methoxy-4,5-dimethyloxan-3-yl]oxy-4,5-dimethyloxan-3-yl]oxy-3,5-dimethyloxan-4-ol;(3R,4S,6R)-2-ethyl-4-[(2R,4S,5S)-6-ethyl-3-[(2R,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxy-4,5-dimethyloxan-2-yl]oxy-6-methoxy-3,5-dimethyloxane is sourced from PubChem (CID 163701937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).